BDBM50045079 CHEMBL3310096

SMILES: CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCOC)c1=O

InChI Key: InChIKey=TZMIHRDKFQXCPK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045079   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50045079 (CHEMBL3310096) Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCOC)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-24-17(28)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-26-19(16)20(29)18(22(27)31)21(30)25-7-8-32-2/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,28)(H,25,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair